UCSF

ZINC01577269

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 3.03 -4.86 0 2 0 26 142.198 5

Vendor Notes

Note Type Comments Provided By
Mp [°C] 75 Acros Organics
Melting_Point 75? Alfa-Aesar
Melting_Point 75° Alfa-Aesar
BP [°C] 160 - 163 Acros Organics
Boiling_Point 160-163? Alfa-Aesar
Boiling_Point 160-163° Alfa-Aesar
BP 164 TCI
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H317: May cause an allergic skin reaction; H319: Causes serious eye irritation; H315: Causes skin irritation; H226: Flammable liquid and vapor Acros Organics
P phrase P280: Wear eye protection/face protection Acros Organics
P phrase P280: Wear eye protection/face protection; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P3 Acros Organics
R phrase R10: Flammable. Acros Organics
R phrase R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin.; R43: May cause sensitisation by skin contact. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )